Geometry & MOs

Info

ID:	200800
PubChem CID:	79446639
Reduced:	ClBr2N2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	469.84291
ΔH_f, kcal/mol:	33.25
Dipole, Da:	2.82
IP(EA), eV:	-9.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,2-dichlorobenzene

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CC(CBr)(CBr)C2=CC=CC=C2Cl

DOS

IR

Vibrations